REMARK Name = BDB007204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.770 0.972 0.209 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -5.090 0.889 1.573 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -4.167 0.298 2.442 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -2.933 -0.169 1.962 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -1.923 -0.805 2.872 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -0.478 -0.527 2.473 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -0.222 -0.327 1.104 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -1.286 -0.632 0.120 0.00 0.00 +0.142 C ATOM 9 O LIG 1 0.384 -0.565 3.354 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.618 -0.072 0.603 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -3.537 0.525 -0.268 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.376 -2.119 -0.268 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -0.618 -3.121 0.366 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.723 -4.462 -0.021 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.583 -4.821 -1.053 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.711 -6.469 -1.529 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.333 -3.851 -1.707 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.227 -2.511 -1.320 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 1.085 0.059 0.625 0.00 0.00 +0.037 A ATOM 20 C LIG 1 1.507 -0.226 -0.684 0.00 0.00 +0.025 A ATOM 21 C LIG 1 2.771 0.169 -1.150 0.00 0.00 +0.025 A ATOM 22 C LIG 1 3.658 0.862 -0.325 0.00 0.00 +0.030 A ATOM 23 C LIG 1 3.239 1.164 0.971 0.00 0.00 +0.025 A ATOM 24 C LIG 1 1.978 0.767 1.439 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 4.925 1.304 -0.746 0.00 0.00 -0.333 N ATOM 26 C LIG 1 4.813 2.590 -1.443 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 5.759 0.292 -1.415 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 7.112 0.101 -0.704 0.00 0.00 +0.009 C ATOM 29 C LIG 1 7.999 1.353 -0.722 0.00 0.00 +0.020 C ATOM 30 C LIG 1 9.333 1.083 -0.025 0.00 0.00 +0.081 C ATOM 31 N LIG 1 9.140 0.615 1.347 0.00 0.00 -0.316 NA ATOM 32 H LIG 1 10.046 0.432 1.776 0.00 0.00 +0.122 HD ATOM 33 C LIG 1 8.324 -0.598 1.397 0.00 0.00 +0.081 C ATOM 34 C LIG 1 6.958 -0.395 0.741 0.00 0.00 +0.020 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 35 ATOM 35 O LIG 1 -6.301 1.403 1.954 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 -6.558 1.511 3.347 0.00 0.00 +0.277 C ENDBRANCH 2 35 BRANCH 1 37 ATOM 37 O LIG 1 -5.595 1.559 -0.718 0.00 0.00 -0.485 OA BRANCH 37 38 ATOM 38 C LIG 1 -6.809 0.815 -0.941 0.00 0.00 +0.170 C ATOM 39 C LIG 1 -6.663 0.085 -2.276 0.00 0.00 +0.052 C BRANCH 38 41 ATOM 40 C LIG 1 -9.335 1.193 -1.084 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -7.960 1.831 -0.959 0.00 0.00 +0.041 C ENDBRANCH 38 41 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9